#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fku s VAL 2 N 0.00 1.93 -0.07 -0.39 -7.23 -1.26 -4.98 120.40 108.41 3fku s VAL 2 Ca 0.00 -1.42 -0.07 0.00 -1.81 0.00 0.00 61.98 58.68 3fku s VAL 2 Cb 0.00 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 3fku s VAL 2 CO 0.00 0.19 0.20 -1.10 -0.31 0.00 0.00 175.10 174.07 3fku s GLN 3 N -1.49 3.51 -0.15 4.82 -1.52 -1.26 -4.94 119.66 118.63 3fku s GLN 3 Ca 0.10 -0.10 0.00 0.00 -1.95 0.00 0.00 55.36 53.41 3fku s GLN 3 Cb -0.10 -3.16 0.03 0.00 -0.22 0.00 0.00 33.01 29.57 3fku s GLN 3 CO 0.03 0.73 -0.09 -0.51 -0.25 0.00 0.00 175.29 175.20 3fku s LEU 4 N -1.32 1.66 -0.05 2.90 1.43 -1.26 -1.68 118.68 120.37 3fku s LEU 4 Ca 0.20 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3fku s LEU 4 Cb -0.13 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 3fku s LEU 4 CO 0.09 -0.12 -0.23 0.68 0.23 0.00 0.00 176.35 177.01 3fku s VAL 5 N 1.56 2.30 0.24 -1.59 -7.23 -0.83 -3.97 120.40 110.89 3fku s VAL 5 Ca 0.03 -0.99 0.10 0.00 -1.81 0.00 0.00 61.98 59.31 3fku s VAL 5 Cb -0.14 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 3fku s VAL 5 CO -0.09 0.57 -0.08 -1.10 -0.31 0.00 0.00 175.10 174.10 3fku s GLN 6 N -0.34 2.08 0.90 4.82 -0.21 -1.26 -0.30 119.66 125.35 3fku s GLN 6 Ca 0.02 -1.45 -0.14 0.00 0.02 0.00 0.00 55.36 53.82 3fku s GLN 6 Cb -0.12 -2.08 -0.00 0.00 1.00 0.00 0.00 33.01 31.81 3fku s GLN 6 CO 0.02 0.38 0.30 0.45 -2.12 0.00 0.00 175.29 174.32 3fku n SER 7 N -0.54 -2.32 -3.55 5.90 2.88 -0.80 -4.94 113.62 110.25 3fku n SER 7 Ca -0.08 0.37 -0.31 0.00 -1.33 0.00 0.00 58.87 57.53 3fku n SER 7 Cb 0.58 -1.16 0.26 0.00 -0.75 0.00 0.00 64.21 63.14 3fku n SER 7 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3fku s GLY 8 N -1.78 1.54 -1.15 0.46 0.00 -1.26 -4.66 107.32 100.46 3fku s GLY 8 Ca 0.57 -1.02 -0.06 0.00 0.00 0.00 0.00 44.72 44.21 3fku s GLY 8 CO 0.67 -0.05 2.68 0.00 0.00 0.00 0.00 173.10 176.40 3fku n ALA 9 N -5.10 6.90 -1.56 3.20 0.00 -1.26 -4.66 120.51 118.02 3fku n ALA 9 Ca 0.15 -3.62 -0.40 0.00 0.00 0.00 0.00 53.44 49.57 3fku n ALA 9 Cb 0.60 -2.77 0.03 0.00 0.00 0.00 0.00 19.45 17.30 3fku n ALA 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fku n GLU 10 N 2.07 0.96 -3.76 0.00 1.02 -1.14 -4.77 120.64 115.02 3fku n GLU 10 Ca 0.63 0.36 -0.29 0.00 -0.02 0.00 0.00 57.16 57.83 3fku n GLU 10 Cb 0.34 -1.95 -0.16 0.00 -0.02 0.00 0.00 31.44 29.66 3fku n GLU 10 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3fku s VAL 11 N -1.46 0.82 0.38 2.62 1.01 -1.26 -3.16 120.40 119.35 3fku s VAL 11 Ca 0.68 -1.07 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3fku s VAL 11 Cb -0.50 -1.45 -0.07 0.00 0.00 0.00 0.00 36.38 34.36 3fku s VAL 11 CO 0.54 -0.43 -0.02 -0.54 0.00 0.00 0.00 175.10 174.64 3fku s LYS 12 N 1.68 1.92 0.18 2.72 -0.14 -0.85 -4.89 119.74 120.36 3fku s LYS 12 Ca 0.04 -2.02 0.08 0.00 -1.36 0.00 0.00 55.97 52.70 3fku s LYS 12 Cb -0.17 -1.69 -0.04 0.00 -1.68 0.00 0.00 37.83 34.25 3fku s LYS 12 CO -0.17 0.03 -0.03 0.15 -0.76 0.00 0.00 175.35 174.57 3fku s LYS 13 N -3.68 2.30 0.13 1.68 1.02 -1.26 0.21 119.74 120.15 3fku s LYS 13 Ca 0.34 -1.16 -0.33 0.00 0.02 0.00 0.00 55.97 54.84 3fku s LYS 13 Cb 0.07 -2.29 -0.17 0.00 -0.52 0.00 0.00 37.83 34.91 3fku s LYS 13 CO 0.18 0.45 0.90 -2.30 -0.92 0.00 0.00 175.35 173.65 3fku n PRO 14 N -0.10 0.40 0.00 -1.68 -0.02 -1.26 -2.46 135.00 129.88 3fku n PRO 14 Ca -0.10 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3fku n PRO 14 Cb 0.55 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 3fku n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fku n GLY 15 N 1.81 2.71 0.35 -1.23 0.00 0.23 -4.96 105.19 104.10 3fku n GLY 15 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 3fku n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fku n SER 16 N 0.00 -0.34 -4.58 1.61 3.41 -1.03 -3.51 113.62 109.18 3fku n SER 16 Ca 0.00 -0.89 -0.24 0.00 -0.26 0.00 0.00 58.87 57.48 3fku n SER 16 Cb 0.00 -0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 3fku n SER 16 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3fku s SER 17 N -1.55 4.11 0.07 4.04 0.01 -1.26 -1.81 113.70 117.30 3fku s SER 17 Ca 0.07 -0.90 0.04 0.00 1.31 0.00 0.00 55.95 56.48 3fku s SER 17 Cb -0.00 -0.56 -0.03 0.00 0.21 0.00 0.00 66.02 65.64 3fku s SER 17 CO 0.05 -0.08 -0.13 0.68 0.41 0.00 0.00 173.24 174.18 3fku s VAL 18 N -2.46 1.00 -0.39 3.43 -7.23 -1.14 -5.01 120.40 108.62 3fku s VAL 18 Ca 0.32 -1.33 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 3fku s VAL 18 Cb -0.04 -1.05 0.13 0.00 0.56 0.00 0.00 36.38 35.98 3fku s VAL 18 CO 0.18 -0.30 0.19 -0.54 -0.31 0.00 0.00 175.10 174.32 3fku s LYS 19 N -1.88 0.97 0.22 4.82 -0.14 -1.26 -3.10 119.74 119.36 3fku s LYS 19 Ca -0.02 -1.60 -0.14 0.00 -1.36 0.00 0.00 55.97 52.85 3fku s LYS 19 Cb -0.09 -2.02 -0.08 0.00 -1.68 0.00 0.00 37.83 33.96 3fku s LYS 19 CO 0.02 -1.12 0.62 0.08 -0.76 0.00 0.00 175.35 174.18 3fku s VAL 20 N 0.86 4.79 0.39 3.17 1.01 0.33 -4.94 120.40 125.99 3fku s VAL 20 Ca 0.15 0.84 0.04 0.00 0.00 0.00 0.00 61.98 63.01 3fku s VAL 20 Cb -0.22 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3fku s VAL 20 CO -0.07 0.07 0.06 -0.94 0.00 0.00 0.00 175.10 174.22 3fku s SER 21 N -1.99 2.97 -0.29 3.32 1.04 -1.26 -1.37 113.70 116.12 3fku s SER 21 Ca 0.45 -1.48 -0.16 0.00 0.48 0.00 0.00 55.95 55.23 3fku s SER 21 Cb -0.13 0.08 0.16 0.00 0.10 0.00 0.00 66.02 66.23 3fku s SER 21 CO 0.20 -0.69 1.05 0.00 0.98 0.00 0.00 173.24 174.77 3fku s THR 23 N 1.47 0.73 -0.15 0.00 2.01 0.59 -1.72 115.64 118.57 3fku s THR 23 Ca -0.08 -0.18 -0.13 0.00 0.31 0.00 0.00 61.69 61.61 3fku s THR 23 Cb -0.04 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.67 3fku s THR 23 CO -0.14 0.29 0.29 -0.55 -0.69 0.00 0.00 174.62 173.81 3fku s SER 24 N 1.25 6.44 0.16 3.53 0.15 -0.83 -1.95 113.70 122.44 3fku s SER 24 Ca -0.05 0.51 -0.13 0.00 0.70 0.00 0.00 55.95 56.98 3fku s SER 24 Cb -0.14 -2.18 0.04 0.00 -1.71 0.00 0.00 66.02 62.04 3fku s SER 24 CO -0.02 0.12 1.69 -1.28 1.20 0.00 0.00 173.24 174.94 3fku h SER 25 N 6.54 0.76 -3.26 5.45 0.87 -1.66 -3.46 113.55 118.79 3fku h SER 25 Ca -0.42 -0.20 -0.53 0.00 -1.23 0.00 0.00 61.79 59.41 3fku h SER 25 Cb 1.17 -0.20 0.05 0.00 -0.44 0.00 0.00 62.40 62.98 3fku h SER 25 CO 0.75 0.76 0.76 -1.83 -0.53 0.00 0.00 176.83 176.73 3fku s GLU 26 N -5.42 4.28 0.49 2.24 -1.05 -1.26 -4.89 118.70 113.09 3fku s GLU 26 Ca -0.13 2.25 0.31 0.00 -0.15 0.00 0.00 54.97 57.25 3fku s GLU 26 Cb 0.12 -3.14 1.15 0.00 -0.44 0.00 0.00 34.13 31.82 3fku s GLU 26 CO 0.79 -0.42 1.89 -0.24 0.95 0.00 0.00 175.26 178.23 3fku h VAL 27 N 3.71 0.00 -0.96 1.83 3.04 -2.03 -3.13 116.25 118.71 3fku h VAL 27 Ca -0.45 -0.55 -0.63 0.00 -1.01 0.00 0.00 66.70 64.05 3fku h VAL 27 Cb 1.21 1.53 -0.28 0.00 -2.01 0.00 0.00 31.29 31.74 3fku h VAL 27 CO 0.81 0.00 0.82 1.07 -1.01 0.00 0.00 177.57 179.25 3fku n THR 28 N -2.98 3.51 0.68 3.17 5.66 -1.26 -4.61 114.28 118.46 3fku n THR 28 Ca 0.01 -2.70 0.12 0.00 -3.05 0.00 0.00 64.05 58.44 3fku n THR 28 Cb 0.33 -1.08 0.26 0.00 -1.55 0.00 0.00 70.33 68.30 3fku n THR 28 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 3fku n PHE 29 N -0.86 0.48 0.33 1.09 1.16 -1.18 -3.43 117.46 115.05 3fku n PHE 29 Ca 0.60 0.14 0.22 0.00 -1.87 0.00 0.00 57.45 56.54 3fku n PHE 29 Cb 0.79 -0.62 1.14 0.00 -1.61 0.00 0.00 39.48 39.18 3fku n PHE 29 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 3fku h SER 30 N 0.00 0.00 -0.22 5.98 0.02 -1.88 -2.98 113.55 114.47 3fku h SER 30 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fku h SER 30 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3fku h SER 30 CO 0.00 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.15 3fku n SER 31 N -3.13 3.24 -3.86 3.07 3.41 -1.22 -2.68 113.62 112.45 3fku n SER 31 Ca -0.03 -2.68 -0.27 0.00 -0.26 0.00 0.00 58.87 55.63 3fku n SER 31 Cb 0.10 -0.40 -0.17 0.00 -0.26 0.00 0.00 64.21 63.48 3fku n SER 31 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3fku s PHE 32 N -2.21 1.44 0.42 7.33 0.40 -1.13 -4.26 117.98 119.96 3fku s PHE 32 Ca 0.32 -0.84 -0.25 0.00 -0.60 0.00 0.00 56.93 55.56 3fku s PHE 32 Cb 0.25 -1.19 -0.08 0.00 0.51 0.00 0.00 43.02 42.50 3fku s PHE 32 CO 0.09 -0.55 1.24 0.00 0.70 0.00 0.00 175.22 176.70 3fku s ALA 33 N 1.72 3.16 -0.08 5.36 0.00 0.11 -4.68 121.76 127.35 3fku s ALA 33 Ca 0.02 1.11 0.02 0.00 0.00 0.00 0.00 51.96 53.11 3fku s ALA 33 Cb -0.14 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 3fku s ALA 33 CO -0.08 -0.73 -0.15 0.42 0.00 0.00 0.00 175.76 175.23 3fku s ILE 34 N -1.35 2.98 0.32 0.00 1.01 -0.37 -0.03 121.20 123.77 3fku s ILE 34 Ca 0.58 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.57 3fku s ILE 34 Cb -0.34 -2.19 -0.06 0.00 0.01 0.00 0.00 42.46 39.87 3fku s ILE 34 CO 0.43 0.56 -0.03 -0.44 0.00 0.00 0.00 174.94 175.47 3fku s SER 35 N -0.26 3.01 -0.19 3.58 0.01 0.23 -0.58 113.70 119.50 3fku s SER 35 Ca 0.01 -1.26 -0.01 0.00 1.31 0.00 0.00 55.95 56.00 3fku s SER 35 Cb -0.13 -0.22 0.05 0.00 0.21 0.00 0.00 66.02 65.94 3fku s SER 35 CO 0.03 -0.40 -0.04 0.26 0.41 0.00 0.00 173.24 173.50 3fku s TRP 36 N -2.97 1.79 0.04 2.43 0.52 -0.50 -1.13 118.94 119.12 3fku s TRP 36 Ca 0.32 -1.25 0.08 0.00 0.02 0.00 0.00 56.10 55.28 3fku s TRP 36 Cb 0.06 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 31.01 3fku s TRP 36 CO 0.14 -0.66 -0.24 0.08 0.02 0.00 0.00 176.95 176.29 3fku s VAL 37 N 1.60 1.95 0.19 4.03 1.01 -0.95 -1.95 120.40 126.28 3fku s VAL 37 Ca -0.02 -1.29 0.08 0.00 0.00 0.00 0.00 61.98 60.75 3fku s VAL 37 Cb -0.17 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3fku s VAL 37 CO -0.07 0.32 -0.16 0.00 0.00 0.00 0.00 175.10 175.19 3fku s ARG 38 N -1.17 1.29 -0.07 2.72 1.70 -0.21 -1.14 118.95 122.07 3fku s ARG 38 Ca 0.10 -1.50 -0.03 0.00 -0.47 0.00 0.00 55.73 53.83 3fku s ARG 38 Cb -0.09 -1.19 0.04 0.00 -0.57 0.00 0.00 34.95 33.14 3fku s ARG 38 CO 0.02 0.22 0.15 1.14 -1.08 0.00 0.00 175.30 175.74 3fku s GLN 39 N -3.27 0.08 0.53 3.89 -2.07 -0.32 -1.01 119.66 117.49 3fku s GLN 39 Ca 0.19 0.39 -0.04 0.00 -1.82 0.00 0.00 55.36 54.08 3fku s GLN 39 Cb -0.03 -0.19 -0.00 0.00 -1.09 0.00 0.00 33.01 31.70 3fku s GLN 39 CO 0.07 -0.18 0.81 0.00 -1.32 0.00 0.00 175.29 174.66 3fku s ALA 40 N 1.28 3.46 -0.07 2.60 0.00 -1.26 -0.74 121.76 127.04 3fku s ALA 40 Ca -0.08 -0.78 -0.37 0.00 0.00 0.00 0.00 51.96 50.73 3fku s ALA 40 Cb -0.12 -2.45 -0.15 0.00 0.00 0.00 0.00 23.12 20.40 3fku s ALA 40 CO -0.06 -0.59 1.60 -2.30 0.00 0.00 0.00 175.76 174.41 3fku n PRO 41 N -2.36 1.40 -2.47 0.00 -0.02 -1.26 -2.19 135.00 128.10 3fku n PRO 41 Ca 0.03 0.51 -0.15 0.00 -2.02 0.00 0.00 63.50 61.87 3fku n PRO 41 Cb 0.57 -2.21 0.01 0.00 -0.02 0.00 0.00 33.50 31.84 3fku n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fku n GLY 42 N 3.53 -0.19 0.00 -1.23 0.00 -1.26 -4.99 105.19 101.06 3fku n GLY 42 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3fku n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fku n GLN 43 N -2.60 1.29 -2.07 1.61 6.02 -0.93 -5.19 117.38 115.50 3fku n GLN 43 Ca -0.13 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.85 3fku n GLN 43 Cb 0.61 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.87 3fku n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fku n GLY 44 N 1.61 4.16 3.79 1.08 0.00 -1.26 -4.89 105.19 109.66 3fku n GLY 44 Ca 0.00 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 3fku n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fku s LEU 45 N 0.00 4.47 -0.05 0.99 2.01 -1.26 -4.41 118.68 120.43 3fku s LEU 45 Ca 0.00 1.66 -0.01 0.00 0.01 0.00 0.00 54.13 55.79 3fku s LEU 45 Cb 0.00 -3.58 0.03 0.00 0.01 0.00 0.00 46.19 42.65 3fku s LEU 45 CO 0.00 0.09 0.02 -0.70 1.01 0.00 0.00 176.35 176.77 3fku s GLU 46 N -1.59 0.33 -0.34 1.70 2.12 -0.18 -4.63 118.70 116.11 3fku s GLU 46 Ca 0.42 0.18 -0.26 0.00 0.36 0.00 0.00 54.97 55.67 3fku s GLU 46 Cb -0.21 -0.72 0.01 0.00 0.26 0.00 0.00 34.13 33.48 3fku s GLU 46 CO 0.25 -0.27 0.90 -0.46 -0.54 0.00 0.00 175.26 175.14 3fku s TRP 47 N 1.79 3.14 -0.06 5.30 -0.00 -1.26 -1.05 118.94 126.80 3fku s TRP 47 Ca 0.01 0.86 -0.26 0.00 -0.00 0.00 0.00 56.10 56.71 3fku s TRP 47 Cb -0.13 -3.50 -0.23 0.00 -0.00 0.00 0.00 33.47 29.61 3fku s TRP 47 CO -0.04 -0.72 1.03 -0.07 -0.00 0.00 0.00 176.95 177.15 3fku h LEU 48 N 9.85 0.13 0.00 5.86 4.07 -1.76 -3.42 115.31 130.05 3fku h LEU 48 Ca -0.23 -0.76 0.00 0.00 0.08 0.00 0.00 57.88 56.97 3fku h LEU 48 Cb 1.08 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.78 3fku h LEU 48 CO 0.96 0.87 0.00 0.61 -1.08 0.00 0.00 178.44 179.80 3fku n GLY 49 N 0.97 1.38 3.51 0.83 0.00 -1.20 -1.64 105.19 109.05 3fku n GLY 49 Ca -0.09 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 3fku n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fku s GLY 50 N 0.00 0.44 0.02 -0.02 0.00 -0.07 -1.41 107.32 106.28 3fku s GLY 50 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.95 3fku s GLY 50 CO 0.00 -0.63 -0.07 -1.50 0.00 0.00 0.00 173.10 170.90 3fku s ILE 51 N -3.99 0.48 -0.23 0.90 1.10 0.26 -0.39 121.20 119.33 3fku s ILE 51 Ca 0.19 -0.68 -0.18 0.00 -0.51 0.00 0.00 60.65 59.48 3fku s ILE 51 Cb 0.00 -0.48 -0.03 0.00 0.15 0.00 0.00 42.46 42.10 3fku s ILE 51 CO 0.05 -0.15 0.51 -0.55 -2.11 0.00 0.00 174.94 172.69 3fku s SER 52 N -0.90 6.49 0.50 4.50 0.15 -1.11 -1.23 113.70 122.10 3fku s SER 52 Ca -0.04 0.59 0.24 0.00 0.70 0.00 0.00 55.95 57.44 3fku s SER 52 Cb -0.06 -2.28 1.31 0.00 -1.71 0.00 0.00 66.02 63.28 3fku s SER 52 CO 0.00 -0.22 2.04 -0.65 1.20 0.00 0.00 173.24 175.61 3fku h PRO 53 N 7.71 0.00 -0.03 5.44 0.11 -1.81 -1.86 132.00 141.56 3fku h PRO 53 Ca -0.32 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.63 3fku h PRO 53 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3fku h PRO 53 CO 0.73 0.15 -0.72 1.98 -0.21 0.00 0.00 178.00 179.92 3fku h MET 54 N 0.00 0.17 0.00 1.05 -1.53 -1.82 -3.38 114.93 109.42 3fku h MET 54 Ca -0.00 -0.14 0.00 0.00 -3.44 0.00 0.00 59.70 56.11 3fku h MET 54 Cb 0.35 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.43 3fku h MET 54 CO 0.02 0.82 -0.65 1.19 0.14 0.00 0.00 176.91 178.43 3fku n PHE 55 N -3.76 0.00 0.00 1.39 3.72 -1.18 -5.04 117.46 112.59 3fku n PHE 55 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3fku n PHE 55 Cb 0.70 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 3fku n PHE 55 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fku n GLY 56 N 1.75 3.14 3.65 1.37 0.00 -0.71 -5.01 105.19 109.39 3fku n GLY 56 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3fku n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fku s THR 57 N -1.92 3.76 0.17 2.61 2.01 -1.26 -4.82 115.64 116.17 3fku s THR 57 Ca 0.00 0.90 0.03 0.00 0.31 0.00 0.00 61.69 62.93 3fku s THR 57 Cb 0.00 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 3fku s THR 57 CO 0.00 -0.12 0.27 -2.16 -0.69 0.00 0.00 174.62 171.92 3fku s PRO 58 N 4.05 3.36 -0.04 4.92 0.04 -1.26 -2.76 135.00 143.30 3fku s PRO 58 Ca 0.69 -0.67 0.06 0.00 0.04 0.00 0.00 61.00 61.12 3fku s PRO 58 Cb -0.29 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 3fku s PRO 58 CO 0.26 0.50 -0.23 -0.80 0.04 0.00 0.00 177.00 176.77 3fku s ASN 59 N -3.35 2.75 0.36 6.66 -0.87 0.48 -4.99 114.94 115.98 3fku s ASN 59 Ca 0.34 -0.45 0.07 0.00 -1.57 0.00 0.00 52.86 51.25 3fku s ASN 59 Cb -0.10 -0.64 -0.07 0.00 -0.02 0.00 0.00 41.25 40.42 3fku s ASN 59 CO 0.28 0.23 -0.01 -0.31 -2.57 0.00 0.00 177.10 174.72 3fku s TYR 60 N -0.22 2.30 0.20 2.20 1.51 -1.26 -0.89 117.35 121.18 3fku s TYR 60 Ca -0.00 -0.70 -0.17 0.00 -1.01 0.00 0.00 57.07 55.19 3fku s TYR 60 Cb -0.12 -1.50 -0.08 0.00 -0.11 0.00 0.00 41.96 40.16 3fku s TYR 60 CO 0.02 0.36 0.65 0.00 -1.11 0.00 0.00 175.55 175.48 3fku s ALA 61 N -2.86 3.48 0.24 3.71 0.00 -0.65 -4.86 121.76 120.82 3fku s ALA 61 Ca 0.34 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 3fku s ALA 61 Cb 0.07 -2.70 0.29 0.00 0.00 0.00 0.00 23.12 20.78 3fku s ALA 61 CO 0.16 0.38 1.56 1.96 0.00 0.00 0.00 175.76 179.83 3fku h GLN 62 N 3.43 -0.02 -0.62 0.00 1.08 -1.89 0.23 115.11 117.31 3fku h GLN 62 Ca -0.48 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 56.78 3fku h GLN 62 Cb 1.19 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.55 3fku h GLN 62 CO 0.65 -0.01 -0.37 1.17 -0.95 0.00 0.00 178.83 179.32 3fku n LYS 63 N -5.51 -0.27 0.00 1.46 4.81 -1.26 -0.22 118.16 117.17 3fku n LYS 63 Ca 0.11 0.98 0.12 0.00 -0.87 0.00 0.00 58.31 58.66 3fku n LYS 63 Cb 0.42 -1.45 0.17 0.00 0.02 0.00 0.00 35.03 34.19 3fku n LYS 63 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3fku n PHE 64 N -4.67 0.00 -0.00 5.64 3.72 -0.61 -4.85 117.46 116.68 3fku n PHE 64 Ca 0.01 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3fku n PHE 64 Cb 0.16 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.69 3fku n PHE 64 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3fku n GLN 65 N 0.81 -0.00 -0.19 -1.08 -0.06 0.69 -0.30 117.38 117.25 3fku n GLN 65 Ca 0.14 0.08 0.06 0.00 -2.00 0.00 0.00 57.00 55.28 3fku n GLN 65 Cb 0.52 -0.12 0.16 0.00 -4.06 0.00 0.00 30.24 26.74 3fku n GLN 65 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3fku n GLY 66 N -1.00 0.72 0.57 1.69 0.00 -1.26 -4.19 105.19 101.72 3fku n GLY 66 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.64 3fku n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3fku n ARG 67 N 0.56 0.07 -3.68 1.61 0.00 0.59 -4.99 116.66 110.81 3fku n ARG 67 Ca 0.12 -1.18 -0.09 0.00 -0.00 0.00 0.00 57.85 56.69 3fku n ARG 67 Cb 0.31 -0.51 -0.10 0.00 0.00 0.00 0.00 32.46 32.17 3fku n ARG 67 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3fku s VAL 68 N -0.16 -0.08 -0.29 5.15 1.01 -1.19 -1.79 120.40 123.04 3fku s VAL 68 Ca 0.05 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 3fku s VAL 68 Cb 0.05 -0.71 0.10 0.00 0.00 0.00 0.00 36.38 35.82 3fku s VAL 68 CO -0.01 0.03 0.11 0.42 0.00 0.00 0.00 175.10 175.65 3fku s THR 69 N 1.57 0.33 -0.14 3.92 -4.23 -0.94 -4.92 115.64 111.22 3fku s THR 69 Ca -0.09 -0.98 -0.08 0.00 -1.18 0.00 0.00 61.69 59.37 3fku s THR 69 Cb -0.08 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 3fku s THR 69 CO -0.15 -0.67 0.13 0.27 -0.54 0.00 0.00 174.62 173.66 3fku s ILE 70 N 1.90 5.39 -0.03 2.99 -0.00 -1.26 -4.02 121.20 126.18 3fku s ILE 70 Ca 0.09 0.17 -0.09 0.00 -0.00 0.00 0.00 60.65 60.82 3fku s ILE 70 Cb -0.17 -3.38 0.01 0.00 -0.00 0.00 0.00 42.46 38.93 3fku s ILE 70 CO -0.30 0.57 0.20 0.42 -0.00 0.00 0.00 174.94 175.83 3fku s THR 71 N -0.60 0.05 0.05 8.37 -4.23 -0.70 -4.74 115.64 113.83 3fku s THR 71 Ca 0.13 -0.44 0.04 0.00 -1.18 0.00 0.00 61.69 60.23 3fku s THR 71 Cb -0.12 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 3fku s THR 71 CO 0.02 -0.24 -0.02 0.00 -0.54 0.00 0.00 174.62 173.83 3fku s ALA 72 N -0.95 3.20 -0.57 3.99 0.00 -1.26 0.17 121.76 126.34 3fku s ALA 72 Ca -0.10 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 3fku s ALA 72 Cb -0.05 -1.19 0.15 0.00 0.00 0.00 0.00 23.12 22.03 3fku s ALA 72 CO 0.02 0.66 0.40 0.34 0.00 0.00 0.00 175.76 177.18 3fku s ASP 73 N -1.91 5.46 0.19 0.00 -1.08 0.72 -4.97 116.67 115.08 3fku s ASP 73 Ca 0.22 -2.50 -0.21 0.00 -0.52 0.00 0.00 52.55 49.53 3fku s ASP 73 Cb -0.11 -1.91 0.12 0.00 -1.46 0.00 0.00 42.92 39.56 3fku s ASP 73 CO 0.13 -0.48 1.57 1.56 0.52 0.00 0.00 175.17 178.48 3fku h GLN 74 N 7.56 -0.14 -0.99 4.34 4.20 -1.84 -1.91 115.11 126.34 3fku h GLN 74 Ca -0.06 0.01 0.34 0.00 0.06 0.00 0.00 58.65 59.00 3fku h GLN 74 Cb 1.00 0.03 -0.17 0.00 0.30 0.00 0.00 27.48 28.64 3fku h GLN 74 CO 0.74 -0.09 0.34 1.03 -0.67 0.00 0.00 178.83 180.18 3fku h SER 75 N -0.15 0.04 0.00 1.46 0.87 -1.96 -2.51 113.55 111.30 3fku h SER 75 Ca 0.24 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 3fku h SER 75 Cb 0.56 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 3fku h SER 75 CO -0.74 -0.36 -0.01 0.35 -0.53 0.00 0.00 176.83 175.54 3fku n THR 76 N -5.31 1.49 -3.63 2.23 -2.24 -0.74 -5.01 114.28 101.06 3fku n THR 76 Ca 0.31 -1.71 -0.23 0.00 -2.27 0.00 0.00 64.05 60.15 3fku n THR 76 Cb 1.03 0.08 0.04 0.00 -2.10 0.00 0.00 70.33 69.37 3fku n THR 76 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fku n ARG 77 N -1.03 -3.41 -3.71 -0.78 1.74 -0.95 -4.87 116.66 103.65 3fku n ARG 77 Ca 0.09 0.61 -0.15 0.00 -0.77 0.00 0.00 57.85 57.63 3fku n ARG 77 Cb 0.49 -4.98 -0.15 0.00 -1.02 0.00 0.00 32.46 26.79 3fku n ARG 77 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3fku s THR 78 N -3.57 -0.16 -0.15 0.55 2.01 -1.22 -1.97 115.64 111.14 3fku s THR 78 Ca 0.21 0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.45 3fku s THR 78 Cb -0.06 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 3fku s THR 78 CO 0.82 0.11 -0.04 0.00 -0.69 0.00 0.00 174.62 174.82 3fku s ALA 79 N 1.75 3.02 -0.11 7.40 0.00 -0.70 -0.20 121.76 132.92 3fku s ALA 79 Ca -0.03 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 3fku s ALA 79 Cb -0.12 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 3fku s ALA 79 CO -0.06 0.26 -0.08 0.71 0.00 0.00 0.00 175.76 176.60 3fku s TYR 80 N 0.20 2.93 -0.06 0.00 4.12 0.13 -2.95 117.35 121.71 3fku s TYR 80 Ca -0.02 -0.23 0.06 0.00 0.02 0.00 0.00 57.07 56.89 3fku s TYR 80 Cb -0.14 -1.82 -0.01 0.00 -1.52 0.00 0.00 41.96 38.47 3fku s TYR 80 CO 0.03 0.09 -0.23 1.41 0.02 0.00 0.00 175.55 176.86 3fku s MET 81 N -0.17 2.59 -0.15 -0.62 1.75 -0.47 -1.73 119.30 120.50 3fku s MET 81 Ca 0.02 -0.88 -0.10 0.00 -1.25 0.00 0.00 55.69 53.48 3fku s MET 81 Cb -0.13 -2.21 0.05 0.00 2.84 0.00 0.00 34.83 35.38 3fku s MET 81 CO 0.03 0.39 0.37 0.16 -0.65 0.00 0.00 175.02 175.32 3fku s ASP 82 N -0.19 -0.43 0.12 1.11 1.47 -1.26 -0.52 116.67 116.98 3fku s ASP 82 Ca -0.03 0.78 0.09 0.00 1.18 0.00 0.00 52.55 54.57 3fku s ASP 82 Cb -0.14 0.71 -0.04 0.00 -0.34 0.00 0.00 42.92 43.12 3fku s ASP 82 CO 0.03 -0.16 -0.21 -1.48 0.68 0.00 0.00 175.17 174.03 3fku s LEU 83 N 0.91 2.33 0.33 2.11 2.34 -1.18 -2.21 118.68 123.31 3fku s LEU 83 Ca -0.06 -0.73 0.07 0.00 0.06 0.00 0.00 54.13 53.47 3fku s LEU 83 Cb -0.06 -0.91 -0.02 0.00 -0.56 0.00 0.00 46.19 44.64 3fku s LEU 83 CO -0.07 0.05 0.33 -0.13 -1.06 0.00 0.00 176.35 175.47 3fku s ARG 84 N -2.13 2.86 -1.60 1.48 3.00 -0.74 -2.86 118.95 118.96 3fku s ARG 84 Ca 0.09 -1.19 -0.08 0.00 0.00 0.00 0.00 55.73 54.56 3fku s ARG 84 Cb -0.09 -2.59 0.07 0.00 0.00 0.00 0.00 34.95 32.35 3fku s ARG 84 CO 0.05 0.12 0.39 0.45 0.00 0.00 0.00 175.30 176.31 3fku n SER 85 N -1.43 -0.81 -4.72 0.23 2.88 -1.13 -4.82 113.62 103.81 3fku n SER 85 Ca -0.02 -1.13 -0.42 0.00 -1.33 0.00 0.00 58.87 55.97 3fku n SER 85 Cb 0.59 -2.28 -0.03 0.00 -0.75 0.00 0.00 64.21 61.73 3fku n SER 85 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 3fku s LEU 86 N -7.22 4.42 0.00 2.46 0.05 -0.75 -4.61 118.68 113.03 3fku s LEU 86 Ca 0.30 2.03 0.00 0.00 0.05 0.00 0.00 54.13 56.51 3fku s LEU 86 Cb -0.17 -3.59 0.00 0.00 -2.05 0.00 0.00 46.19 40.38 3fku s LEU 86 CO 0.96 -0.35 0.00 0.54 -0.55 0.00 0.00 176.35 176.95 3fku n ARG 87 N 3.22 3.43 -0.06 1.48 1.74 -1.26 0.77 116.66 125.98 3fku n ARG 87 Ca 0.06 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.93 3fku n ARG 87 Cb 0.47 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.78 3fku n ARG 87 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3fku h SER 88 N 0.00 0.15 0.00 0.55 0.87 -1.95 -3.35 113.55 109.82 3fku h SER 88 Ca 0.00 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.86 3fku h SER 88 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3fku h SER 88 CO 0.00 1.53 0.00 1.21 -0.53 0.00 0.00 176.83 179.04 3fku n GLU 89 N -4.19 0.61 -0.17 2.24 0.00 -1.26 -0.95 120.64 116.92 3fku n GLU 89 Ca -0.28 0.00 0.12 0.00 0.00 0.00 0.00 57.16 56.99 3fku n GLU 89 Cb 0.77 -1.12 0.23 0.00 0.00 0.00 0.00 31.44 31.32 3fku n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3fku n ASP 90 N -0.23 3.20 -4.56 4.31 10.43 -1.26 -4.89 116.55 123.54 3fku n ASP 90 Ca 0.00 -1.96 -0.38 0.00 2.57 0.00 0.00 54.79 55.02 3fku n ASP 90 Cb 0.06 -0.22 -0.03 0.00 1.84 0.00 0.00 41.12 42.77 3fku n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3fku s THR 91 N -1.56 3.09 0.28 -3.53 2.01 -0.13 -4.89 115.64 110.91 3fku s THR 91 Ca 0.37 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.33 3fku s THR 91 Cb 0.22 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.54 3fku s THR 91 CO 0.31 -0.17 0.50 0.00 -0.69 0.00 0.00 174.62 174.57 3fku s ALA 92 N 10.63 -0.07 -0.21 7.40 0.00 -0.84 -4.33 121.76 134.35 3fku s ALA 92 Ca 0.92 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 51.78 3fku s ALA 92 Cb -0.20 1.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 3fku s ALA 92 CO 0.27 -0.85 0.13 0.08 0.00 0.00 0.00 175.76 175.39 3fku s VAL 93 N -3.68 5.30 -0.62 0.00 1.01 0.08 -0.39 120.40 122.10 3fku s VAL 93 Ca 0.24 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 3fku s VAL 93 Cb -0.01 -3.43 0.16 0.00 0.00 0.00 0.00 36.38 33.11 3fku s VAL 93 CO 0.12 0.42 0.50 -0.31 0.00 0.00 0.00 175.10 175.82 3fku s TYR 94 N 0.52 3.51 0.82 5.22 1.51 0.18 -1.17 117.35 127.94 3fku s TYR 94 Ca 0.07 -2.20 -0.12 0.00 -1.01 0.00 0.00 57.07 53.82 3fku s TYR 94 Cb -0.12 -3.48 0.08 0.00 -0.11 0.00 0.00 41.96 38.33 3fku s TYR 94 CO -0.00 -0.94 1.11 0.71 -1.11 0.00 0.00 175.55 175.32 3fku s TYR 95 N 0.54 2.79 -0.19 2.71 2.02 -0.29 -2.24 117.35 122.69 3fku s TYR 95 Ca 0.13 1.04 -0.04 0.00 -0.37 0.00 0.00 57.07 57.82 3fku s TYR 95 Cb -0.20 -3.21 0.08 0.00 -0.40 0.00 0.00 41.96 38.23 3fku s TYR 95 CO -0.04 -1.88 0.16 0.00 -1.57 0.00 0.00 175.55 172.21 3fku s ALA 97 N 2.23 2.23 0.06 0.00 0.00 -0.29 -0.01 121.76 125.99 3fku s ALA 97 Ca 0.05 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 3fku s ALA 97 Cb -0.16 -0.79 -0.06 0.00 0.00 0.00 0.00 23.12 22.12 3fku s ALA 97 CO -0.11 0.36 0.37 0.50 0.00 0.00 0.00 175.76 176.88 3fku s ARG 98 N 0.06 3.72 0.05 0.00 3.52 -0.27 0.74 118.95 126.77 3fku s ARG 98 Ca -0.10 0.12 0.09 0.00 -0.13 0.00 0.00 55.73 55.72 3fku s ARG 98 Cb -0.15 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 3fku s ARG 98 CO 0.06 0.58 -0.26 -1.12 -0.81 0.00 0.00 175.30 173.74 3fku s SER 99 N -1.75 3.19 0.47 -2.12 0.01 0.96 -1.01 113.70 113.46 3fku s SER 99 Ca 0.32 -0.61 0.32 0.00 1.31 0.00 0.00 55.95 57.29 3fku s SER 99 Cb -0.14 -0.29 1.43 0.00 0.21 0.00 0.00 66.02 67.24 3fku s SER 99 CO 0.18 0.25 1.95 1.55 0.41 0.00 0.00 173.24 177.58 3fku h PRO 100 N 4.69 0.00 -6.74 12.44 0.13 -1.87 -3.10 132.00 137.56 3fku h PRO 100 Ca -0.47 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 3fku h PRO 100 Cb 1.14 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.33 3fku h PRO 100 CO 0.43 0.00 0.76 0.45 -0.23 0.00 0.00 178.00 179.41 3fku s SER 101 N -5.07 6.66 0.46 1.44 0.15 -1.26 -4.84 113.70 111.24 3fku s SER 101 Ca 0.01 2.65 0.26 0.00 0.70 0.00 0.00 55.95 59.57 3fku s SER 101 Cb 0.09 -2.62 0.92 0.00 -1.71 0.00 0.00 66.02 62.71 3fku s SER 101 CO 0.45 -0.70 1.82 0.10 1.20 0.00 0.00 173.24 176.11 3fku h TYR 102 N 5.14 0.00 -3.50 3.44 -0.00 -1.81 0.34 116.97 120.58 3fku h TYR 102 Ca -0.46 0.00 -0.34 0.00 -0.00 0.00 0.00 58.73 57.94 3fku h TYR 102 Cb 1.22 0.00 -0.16 0.00 -0.00 0.00 0.00 36.73 37.79 3fku h TYR 102 CO 0.60 0.17 -0.72 -1.50 -0.00 0.00 0.00 178.16 176.71 3fku s ILE 103 N -3.58 1.13 -0.59 -0.90 2.07 -1.26 -3.75 121.20 114.33 3fku s ILE 103 Ca 0.01 -1.91 -0.06 0.00 -1.41 0.00 0.00 60.65 57.29 3fku s ILE 103 Cb 0.09 -1.68 0.15 0.00 0.13 0.00 0.00 42.46 41.16 3fku s ILE 103 CO 0.62 -0.65 0.43 0.00 -1.91 0.00 0.00 174.94 173.43 3fku n SER 105 N 4.03 -1.00 0.00 0.00 3.41 -1.26 -4.71 113.62 114.10 3fku n SER 105 Ca 0.04 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 3fku n SER 105 Cb 0.40 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 3fku n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fku n GLY 106 N -0.23 0.98 0.31 5.00 0.00 -1.26 -4.99 105.19 104.99 3fku n GLY 106 Ca -0.25 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 44.87 3fku n GLY 106 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fku h GLY 107 N 0.00 0.00 1.04 -0.02 0.00 -1.88 0.24 103.07 102.44 3fku h GLY 107 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3fku h GLY 107 CO 0.00 0.00 0.54 -0.91 0.00 0.00 0.00 176.54 176.17 3fku h THR 108 N 0.00 1.11 -0.72 4.70 1.35 -1.94 -3.40 112.91 114.01 3fku h THR 108 Ca 0.00 -0.34 -0.33 0.00 -0.55 0.00 0.00 66.41 65.20 3fku h THR 108 Cb 0.79 0.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.20 3fku h THR 108 CO 0.00 0.18 0.84 0.00 -0.25 0.00 0.00 175.52 176.29 3fku s VAL 110 N 9.71 2.07 -0.65 0.00 -7.23 -1.26 -4.87 120.40 118.18 3fku s VAL 110 Ca 0.68 -1.43 -0.20 0.00 -1.81 0.00 0.00 61.98 59.22 3fku s VAL 110 Cb -0.05 -1.79 0.10 0.00 0.56 0.00 0.00 36.38 35.19 3fku s VAL 110 CO 0.00 0.29 0.84 -0.36 -0.31 0.00 0.00 175.10 175.55 3fku s PHE 111 N -0.86 2.90 0.13 2.82 0.08 -1.26 -4.10 117.98 117.69 3fku s PHE 111 Ca 0.11 -0.87 -0.03 0.00 0.12 0.00 0.00 56.93 56.26 3fku s PHE 111 Cb -0.10 -4.14 -0.11 0.00 -0.57 0.00 0.00 43.02 38.10 3fku s PHE 111 CO 0.03 -1.44 1.29 0.38 -0.10 0.00 0.00 175.22 175.38 3fku h ASP 112 N 9.27 0.47 -4.38 1.36 -0.00 -1.45 -3.41 116.42 118.28 3fku h ASP 112 Ca -0.25 -0.40 -0.31 0.00 -0.00 0.00 0.00 57.03 56.07 3fku h ASP 112 Cb 1.07 -0.15 -0.24 0.00 -0.00 0.00 0.00 39.33 40.01 3fku h ASP 112 CO 1.13 1.21 -0.75 -1.00 -0.00 0.00 0.00 179.24 179.83 3fku s HIS 113 N -3.17 0.65 0.08 4.15 3.76 -1.22 -4.38 115.29 115.16 3fku s HIS 113 Ca -0.05 -0.32 0.07 0.00 -0.15 0.00 0.00 55.06 54.60 3fku s HIS 113 Cb 0.09 -0.40 -0.03 0.00 1.11 0.00 0.00 32.58 33.35 3fku s HIS 113 CO 0.86 -0.04 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.96 3fku s TRP 114 N -0.83 1.50 0.97 1.40 0.52 -1.26 -1.11 118.94 120.13 3fku s TRP 114 Ca -0.04 -0.43 -0.15 0.00 0.02 0.00 0.00 56.10 55.50 3fku s TRP 114 Cb -0.07 -0.83 0.18 0.00 -1.15 0.00 0.00 33.47 31.60 3fku s TRP 114 CO 0.00 0.12 1.21 0.20 0.02 0.00 0.00 176.95 178.50 3fku s GLY 115 N -1.76 1.65 0.20 0.98 0.00 0.99 -4.67 107.32 104.71 3fku s GLY 115 Ca 0.02 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.91 3fku s GLY 115 CO 0.03 -0.18 1.46 0.06 0.00 0.00 0.00 173.10 174.47 3fku h GLN 116 N -1.70 0.21 0.00 2.90 -0.00 -1.91 -3.42 115.11 111.19 3fku h GLN 116 Ca -0.47 -0.19 0.00 0.00 -0.00 0.00 0.00 58.65 58.00 3fku h GLN 116 Cb 1.29 0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.81 3fku h GLN 116 CO 0.49 0.87 0.00 0.41 -0.00 0.00 0.00 178.83 180.59 3fku n GLY 117 N 0.60 3.44 3.50 0.06 0.00 -1.26 -4.67 105.19 106.87 3fku n GLY 117 Ca -0.03 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3fku n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fku s THR 118 N 0.00 5.23 0.10 2.61 2.01 -0.95 -4.86 115.64 119.77 3fku s THR 118 Ca 0.00 -0.33 -0.27 0.00 0.31 0.00 0.00 61.69 61.40 3fku s THR 118 Cb 0.00 -3.85 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 3fku s THR 118 CO 0.00 -0.18 0.85 -0.22 -0.69 0.00 0.00 174.62 174.38 3fku s LEU 119 N 1.82 4.50 -0.09 4.42 2.96 -1.26 0.47 118.68 131.51 3fku s LEU 119 Ca 0.08 1.63 0.01 0.00 -0.22 0.00 0.00 54.13 55.63 3fku s LEU 119 Cb -0.18 -3.39 0.02 0.00 0.50 0.00 0.00 46.19 43.14 3fku s LEU 119 CO 0.11 0.02 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.36 3fku s VAL 120 N -0.26 1.17 -0.13 1.68 1.01 0.48 -2.87 120.40 121.48 3fku s VAL 120 Ca 0.41 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3fku s VAL 120 Cb -0.22 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.08 3fku s VAL 120 CO 0.26 0.37 -0.18 -0.89 0.00 0.00 0.00 175.10 174.66 3fku s THR 121 N 0.99 1.77 -0.44 3.92 2.01 -1.19 -1.99 115.64 120.71 3fku s THR 121 Ca -0.08 -0.80 -0.22 0.00 0.31 0.00 0.00 61.69 60.90 3fku s THR 121 Cb -0.15 -1.59 0.03 0.00 0.01 0.00 0.00 72.50 70.80 3fku s THR 121 CO -0.00 0.49 0.70 -0.69 -0.69 0.00 0.00 174.62 174.43 3fku s VAL 122 N 0.96 4.76 -0.69 3.82 1.01 -1.26 -2.00 120.40 126.99 3fku s VAL 122 Ca -0.06 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3fku s VAL 122 Cb -0.15 -4.25 0.10 0.00 0.00 0.00 0.00 36.38 32.08 3fku s VAL 122 CO -0.03 -0.65 0.78 -1.54 0.00 0.00 0.00 175.10 173.66 3fku n SER 123 N 6.44 1.98 -1.10 3.32 3.41 0.13 -4.94 113.62 122.87 3fku n SER 123 Ca -0.00 -2.14 0.14 0.00 -0.26 0.00 0.00 58.87 56.60 3fku n SER 123 Cb 0.48 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 3fku n SER 123 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3fku n SER 124 N 0.13 -6.54 0.00 4.04 2.88 -1.26 -5.00 113.62 107.87 3fku n SER 124 Ca 0.05 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 3fku n SER 124 Cb 0.44 -3.05 0.00 0.00 -0.75 0.00 0.00 64.21 60.85 3fku n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fku n GLY 125 N -3.15 0.04 3.61 0.46 0.00 -1.26 -4.59 105.19 100.30 3fku n GLY 125 Ca 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3fku n GLY 125 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fku s ILE 139 N -0.67 0.00 -0.23 -0.61 -4.36 -1.26 -5.12 121.20 108.95 3fku s ILE 139 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.37 3fku s ILE 139 Cb 0.00 -1.00 0.07 0.00 1.25 0.00 0.00 42.46 42.78 3fku s ILE 139 CO 0.00 0.00 0.05 -1.58 0.24 0.00 0.00 174.94 173.65 3fku s GLN 140 N -0.45 0.70 0.73 0.37 2.00 -1.26 -5.13 119.66 116.63 3fku s GLN 140 Ca 0.02 -0.64 -0.11 0.00 -2.00 0.00 0.00 55.36 52.63 3fku s GLN 140 Cb -0.03 -2.05 0.03 0.00 0.80 0.00 0.00 33.01 31.76 3fku s GLN 140 CO -0.04 -0.75 1.07 -1.25 -0.50 0.00 0.00 175.29 173.82 3fku s PRO 141 N 1.78 2.61 -0.01 1.67 0.04 -1.26 -5.02 135.00 134.82 3fku s PRO 141 Ca 0.02 0.88 0.17 0.00 0.04 0.00 0.00 61.00 62.12 3fku s PRO 141 Cb -0.17 -1.96 -0.21 0.00 0.04 0.00 0.00 34.50 32.20 3fku s PRO 141 CO -0.14 -1.31 0.63 0.41 0.04 0.00 0.00 177.00 176.63 3fku n GLY 142 N -1.94 -0.67 3.32 0.56 0.00 -1.21 -5.00 105.19 100.25 3fku n GLY 142 Ca 0.07 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 3fku n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fku s LEU 143 N -3.20 2.45 -0.41 0.99 1.02 -1.16 -4.93 118.68 113.44 3fku s LEU 143 Ca 0.03 -0.88 -0.14 0.00 0.02 0.00 0.00 54.13 53.16 3fku s LEU 143 Cb 0.12 -0.75 0.03 0.00 0.02 0.00 0.00 46.19 45.62 3fku s LEU 143 CO 0.71 -0.08 0.29 -0.89 0.02 0.00 0.00 176.35 176.40 3fku s THR 144 N -2.24 5.02 0.05 5.49 2.01 0.14 -3.17 115.64 122.94 3fku s THR 144 Ca 0.16 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.43 3fku s THR 144 Cb -0.05 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 3fku s THR 144 CO 0.06 -0.35 -0.26 -1.10 -0.69 0.00 0.00 174.62 172.28 3fku s GLN 145 N 1.63 1.75 0.65 4.92 -0.21 -1.26 0.08 119.66 127.21 3fku s GLN 145 Ca 0.04 -1.13 -0.15 0.00 0.02 0.00 0.00 55.36 54.13 3fku s GLN 145 Cb -0.20 -1.96 -0.01 0.00 1.00 0.00 0.00 33.01 31.85 3fku s GLN 145 CO 0.08 0.50 1.11 -1.25 -2.12 0.00 0.00 175.29 173.61 3fku s PRO 146 N -1.33 2.86 0.09 2.91 0.04 -1.26 -4.61 135.00 133.71 3fku s PRO 146 Ca 0.12 1.39 0.08 0.00 0.04 0.00 0.00 61.00 62.63 3fku s PRO 146 Cb -0.10 -1.96 -0.22 0.00 0.04 0.00 0.00 34.50 32.27 3fku s PRO 146 CO 0.02 -1.20 1.17 -1.00 0.04 0.00 0.00 177.00 176.03 3fku h PRO 147 N 0.12 0.01 -3.85 0.56 0.14 -1.97 -3.37 132.00 123.64 3fku h PRO 147 Ca -0.47 -0.02 -0.27 0.00 0.14 0.00 0.00 66.00 65.38 3fku h PRO 147 Cb 1.25 0.01 -0.29 0.00 0.14 0.00 0.00 31.00 32.10 3fku h PRO 147 CO 0.54 0.92 -0.73 -1.12 0.14 0.00 0.00 178.00 177.75 3fku s SER 148 N -6.62 0.21 -0.03 1.44 0.01 -1.26 -0.77 113.70 106.68 3fku s SER 148 Ca -0.00 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.25 3fku s SER 148 Cb 0.10 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.29 3fku s SER 148 CO 0.82 -0.01 -0.05 -0.69 0.41 0.00 0.00 173.24 173.72 3fku s VAL 149 N 0.20 0.56 -0.09 3.43 1.01 -0.98 -4.94 120.40 119.60 3fku s VAL 149 Ca -0.02 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3fku s VAL 149 Cb -0.04 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.81 3fku s VAL 149 CO -0.01 0.21 -0.17 -0.44 0.00 0.00 0.00 175.10 174.69 3fku s SER 150 N 0.58 2.39 -0.08 3.32 0.01 -1.26 -1.92 113.70 116.73 3fku s SER 150 Ca -0.08 -0.42 -0.07 0.00 1.31 0.00 0.00 55.95 56.69 3fku s SER 150 Cb -0.11 -1.09 0.03 0.00 0.21 0.00 0.00 66.02 65.05 3fku s SER 150 CO 0.00 0.08 0.22 -0.54 0.41 0.00 0.00 173.24 173.41 3fku s LYS 151 N 0.61 0.23 0.65 12.44 -0.14 -1.01 -4.99 119.74 127.54 3fku s LYS 151 Ca -0.14 0.35 -0.16 0.00 -1.36 0.00 0.00 55.97 54.65 3fku s LYS 151 Cb -0.16 0.06 -0.00 0.00 -1.68 0.00 0.00 37.83 36.04 3fku s LYS 151 CO 0.04 -0.06 1.17 0.20 -0.76 0.00 0.00 175.35 175.94 3fku s GLY 152 N 0.41 2.43 0.21 -3.33 0.00 -1.24 -4.10 107.32 101.69 3fku s GLY 152 Ca -0.02 0.81 -0.29 0.00 0.00 0.00 0.00 44.72 45.22 3fku s GLY 152 CO -0.02 1.19 0.66 1.04 0.00 0.00 0.00 173.10 175.97 3fku n LEU 153 N -2.17 -0.54 -0.83 0.66 4.77 -1.20 -2.78 117.00 114.92 3fku n LEU 153 Ca 0.12 1.14 -0.11 0.00 -0.03 0.00 0.00 56.01 57.14 3fku n LEU 153 Cb 0.51 -1.02 -0.05 0.00 -2.33 0.00 0.00 43.42 40.53 3fku n LEU 153 CO 0.46 -2.59 -0.10 0.54 -1.33 0.00 0.00 177.39 174.37 3fku n ARG 154 N 1.00 -1.00 0.00 3.23 1.74 0.16 -4.84 116.66 116.95 3fku n ARG 154 Ca 0.16 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 3fku n ARG 154 Cb 0.25 -4.89 0.00 0.00 -1.02 0.00 0.00 32.46 26.80 3fku n ARG 154 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3fku n GLN 155 N -2.20 3.82 -4.13 5.56 1.13 -1.12 -4.40 117.38 116.04 3fku n GLN 155 Ca -0.11 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.72 3fku n GLN 155 Cb 0.42 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.60 3fku n GLN 155 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3fku s THR 156 N 2.49 0.80 0.04 5.09 2.01 -1.26 -0.81 115.64 124.01 3fku s THR 156 Ca 0.00 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.73 3fku s THR 156 Cb 0.00 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 3fku s THR 156 CO 0.00 0.30 0.29 0.00 -0.69 0.00 0.00 174.62 174.52 3fku s ALA 157 N 1.25 3.85 -0.16 7.40 0.00 0.46 -4.97 121.76 129.60 3fku s ALA 157 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3fku s ALA 157 Cb -0.14 -2.05 0.03 0.00 0.00 0.00 0.00 23.12 20.96 3fku s ALA 157 CO -0.02 0.67 -0.11 0.99 0.00 0.00 0.00 175.76 177.29 3fku s THR 158 N -1.40 1.50 -0.15 0.00 2.01 -1.26 -0.94 115.64 115.39 3fku s THR 158 Ca 0.31 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.54 3fku s THR 158 Cb -0.13 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 3fku s THR 158 CO 0.19 0.32 0.01 -0.76 -0.69 0.00 0.00 174.62 173.69 3fku s LEU 159 N 1.49 3.56 0.15 4.42 1.02 -0.48 -4.98 118.68 123.87 3fku s LEU 159 Ca 0.02 0.02 0.09 0.00 0.02 0.00 0.00 54.13 54.29 3fku s LEU 159 Cb -0.14 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 3fku s LEU 159 CO -0.09 0.22 -0.13 0.42 0.02 0.00 0.00 176.35 176.79 3fku s THR 160 N 0.07 3.08 -0.07 5.49 -4.23 -1.26 -1.08 115.64 117.63 3fku s THR 160 Ca 0.03 -1.59 -0.02 0.00 -1.18 0.00 0.00 61.69 58.93 3fku s THR 160 Cb -0.13 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.26 3fku s THR 160 CO 0.02 -0.03 0.03 0.00 -0.54 0.00 0.00 174.62 174.10 3fku s THR 162 N 2.04 3.37 0.03 0.00 2.01 0.11 0.87 115.64 124.07 3fku s THR 162 Ca 0.05 -1.34 -0.01 0.00 0.31 0.00 0.00 61.69 60.70 3fku s THR 162 Cb -0.13 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 69.79 3fku s THR 162 CO -0.05 0.06 0.05 0.61 -0.69 0.00 0.00 174.62 174.60 3fku n GLY 163 N 0.54 2.64 0.00 4.40 0.00 -0.93 -0.68 105.19 111.15 3fku n GLY 163 Ca -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3fku n GLY 163 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fku n ASN 164 N -1.71 0.00 0.00 1.61 0.23 -1.26 -4.73 115.26 109.40 3fku n ASN 164 Ca -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3fku n ASN 164 Cb 0.05 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 3fku n ASN 164 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 3fku n SER 165 N 0.00 0.62 0.24 0.53 2.88 -1.26 -2.34 113.62 114.29 3fku n SER 165 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 3fku n SER 165 Cb 0.00 0.08 0.72 0.00 -0.75 0.00 0.00 64.21 64.27 3fku n SER 165 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3fku h ASN 166 N 0.00 0.00 0.00 -3.46 2.35 -1.98 -3.33 115.58 109.17 3fku h ASN 166 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fku h ASN 166 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3fku h ASN 166 CO 0.00 0.00 0.00 -0.46 -1.65 0.00 0.00 177.43 175.32 3fku n ASN 167 N -2.78 0.00 -0.19 5.81 0.23 -1.26 0.34 115.26 117.41 3fku n ASN 167 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3fku n ASN 167 Cb 0.22 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.01 3fku n ASN 167 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3fku h VAL 168 N 0.00 0.56 -1.02 3.53 2.07 -1.77 0.57 116.25 120.20 3fku h VAL 168 Ca 0.00 -0.05 0.38 0.00 0.82 0.00 0.00 66.70 67.85 3fku h VAL 168 Cb 0.00 0.39 -0.16 0.00 -1.52 0.00 0.00 31.29 30.00 3fku h VAL 168 CO 0.00 0.03 0.57 1.23 0.02 0.00 0.00 177.57 179.42 3fku h GLY 169 N 0.16 2.13 0.00 2.17 0.00 -1.58 -2.66 103.07 103.29 3fku h GLY 169 Ca 0.30 -0.18 -0.16 0.00 0.00 0.00 0.00 47.33 47.29 3fku h GLY 169 CO -0.46 -0.66 -1.38 -2.01 0.00 0.00 0.00 176.54 172.03 3fku n ASN 170 N -5.14 1.18 0.17 0.19 5.15 0.12 -4.71 115.26 112.22 3fku n ASN 170 Ca 0.36 0.19 0.06 0.00 -0.60 0.00 0.00 54.58 54.59 3fku n ASN 170 Cb 1.18 -0.46 0.16 0.00 -0.53 0.00 0.00 39.78 40.13 3fku n ASN 170 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 3fku h GLN 171 N -0.51 0.00 0.00 1.20 1.08 -1.44 -3.50 115.11 111.94 3fku h GLN 171 Ca -0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 3fku h GLN 171 Cb 1.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 3fku h GLN 171 CO -0.15 0.35 0.00 0.41 -0.95 0.00 0.00 178.83 178.49 3fku n GLY 172 N 0.92 -2.22 3.47 3.46 0.00 -1.00 -4.76 105.19 105.06 3fku n GLY 172 Ca 0.02 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.04 3fku n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fku s ALA 173 N -1.59 -1.52 -0.06 4.61 0.00 -1.25 -4.39 121.76 117.56 3fku s ALA 173 Ca 0.00 2.00 -0.02 0.00 0.00 0.00 0.00 51.96 53.95 3fku s ALA 173 Cb 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 3fku s ALA 173 CO 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 175.76 175.37 3fku s ALA 174 N 1.74 3.40 0.25 0.00 0.00 0.28 -4.66 121.76 122.77 3fku s ALA 174 Ca -0.09 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.07 3fku s ALA 174 Cb -0.07 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 3fku s ALA 174 CO -0.17 0.62 0.41 -1.58 0.00 0.00 0.00 175.76 175.04 3fku s TRP 175 N -0.99 3.47 -0.01 0.00 0.52 -1.23 -0.91 118.94 119.79 3fku s TRP 175 Ca 0.16 0.16 -0.02 0.00 0.02 0.00 0.00 56.10 56.42 3fku s TRP 175 Cb -0.12 -1.72 0.00 0.00 -1.15 0.00 0.00 33.47 30.49 3fku s TRP 175 CO 0.06 0.35 0.05 -0.51 0.02 0.00 0.00 176.95 176.92 3fku s LEU 176 N -3.86 1.84 0.00 2.99 1.43 0.15 -2.10 118.68 119.12 3fku s LEU 176 Ca 0.36 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 3fku s LEU 176 Cb -0.10 0.22 -0.03 0.00 0.03 0.00 0.00 46.19 46.31 3fku s LEU 176 CO 0.31 -0.10 -0.04 -1.58 0.23 0.00 0.00 176.35 175.17 3fku s GLN 177 N -0.34 2.63 -0.18 1.70 0.74 -0.48 -1.43 119.66 122.31 3fku s GLN 177 Ca -0.04 -0.68 -0.04 0.00 0.05 0.00 0.00 55.36 54.65 3fku s GLN 177 Cb -0.03 -2.56 0.08 0.00 1.10 0.00 0.00 33.01 31.60 3fku s GLN 177 CO 0.00 0.61 0.18 -1.14 -0.55 0.00 0.00 175.29 174.39 3fku s GLN 178 N -1.46 0.14 0.06 1.67 0.74 -0.10 -1.04 119.66 119.67 3fku s GLN 178 Ca 0.18 0.20 -0.23 0.00 0.05 0.00 0.00 55.36 55.56 3fku s GLN 178 Cb -0.11 -1.20 -0.06 0.00 1.10 0.00 0.00 33.01 32.74 3fku s GLN 178 CO 0.08 -0.60 0.68 -1.01 -0.55 0.00 0.00 175.29 173.89 3fku s HIS 179 N 2.28 3.77 -0.68 1.67 3.76 -1.26 -1.81 115.29 123.02 3fku s HIS 179 Ca 0.05 1.40 -0.35 0.00 -0.15 0.00 0.00 55.06 56.01 3fku s HIS 179 Cb -0.15 -2.69 -0.17 0.00 1.11 0.00 0.00 32.58 30.68 3fku s HIS 179 CO -0.10 0.41 2.42 0.94 -0.85 0.00 0.00 174.74 177.55 3fku n GLN 180 N 2.31 0.32 0.00 1.40 -0.06 -1.26 -1.13 117.38 118.96 3fku n GLN 180 Ca -0.06 0.05 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 3fku n GLN 180 Cb 0.50 -1.91 0.00 0.00 -4.06 0.00 0.00 30.24 24.77 3fku n GLN 180 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3fku n GLY 181 N 6.73 1.78 3.95 1.69 0.00 -1.26 -5.09 105.19 112.99 3fku n GLY 181 Ca 0.55 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 3fku n GLY 181 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fku s HIS 182 N -1.38 3.17 0.88 1.61 3.76 -0.29 -5.11 115.29 117.94 3fku s HIS 182 Ca 0.00 0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 55.00 3fku s HIS 182 Cb 0.00 -2.38 0.12 0.00 1.11 0.00 0.00 32.58 31.43 3fku s HIS 182 CO 0.00 -0.44 1.11 -1.25 -0.85 0.00 0.00 174.74 173.31 3fku s PRO 183 N -4.59 1.36 -0.06 8.40 0.04 -1.26 -4.44 135.00 134.45 3fku s PRO 183 Ca 0.50 0.56 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 3fku s PRO 183 Cb -0.10 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3fku s PRO 183 CO 0.38 -2.10 0.75 -1.25 0.04 0.00 0.00 177.00 174.82 3fku s PRO 184 N -5.11 4.46 0.48 0.56 0.05 -1.25 -4.58 135.00 129.60 3fku s PRO 184 Ca 0.63 0.97 -0.13 0.00 0.05 0.00 0.00 61.00 62.52 3fku s PRO 184 Cb -0.16 -3.45 -0.07 0.00 0.05 0.00 0.00 34.50 30.87 3fku s PRO 184 CO 0.55 0.04 0.89 0.15 0.05 0.00 0.00 177.00 178.68 3fku s LYS 185 N 0.85 3.81 -0.12 4.56 -0.14 -0.21 -4.74 119.74 123.76 3fku s LYS 185 Ca 0.40 0.68 -0.18 0.00 -1.36 0.00 0.00 55.97 55.50 3fku s LYS 185 Cb -0.18 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.67 3fku s LYS 185 CO 0.20 -0.20 0.49 -1.17 -0.76 0.00 0.00 175.35 173.91 3fku s LEU 186 N -4.14 4.27 -0.21 3.17 2.96 -1.26 -1.38 118.68 122.08 3fku s LEU 186 Ca 0.54 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 55.28 3fku s LEU 186 Cb -0.10 -2.71 -0.20 0.00 0.50 0.00 0.00 46.19 43.68 3fku s LEU 186 CO 0.35 -0.02 -0.03 0.18 -1.32 0.00 0.00 176.35 175.51 3fku n LEU 187 N 3.76 2.70 -3.93 -0.68 4.77 -0.89 -4.70 117.00 118.03 3fku n LEU 187 Ca -0.07 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.79 3fku n LEU 187 Cb 0.51 -0.88 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 3fku n LEU 187 CO 0.43 0.88 -0.29 -0.94 -1.33 0.00 0.00 177.39 176.15 3fku s SER 188 N -6.61 0.13 0.62 -1.43 1.04 -1.22 -4.19 113.70 102.05 3fku s SER 188 Ca -0.30 -0.32 -0.09 0.00 0.48 0.00 0.00 55.95 55.72 3fku s SER 188 Cb 0.08 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 3fku s SER 188 CO 0.66 -0.29 0.98 -0.31 0.98 0.00 0.00 173.24 175.26 3fku s TYR 189 N -1.26 3.45 0.29 5.02 1.51 0.81 -3.56 117.35 123.61 3fku s TYR 189 Ca -0.14 1.01 0.12 0.00 -1.01 0.00 0.00 57.07 57.05 3fku s TYR 189 Cb -0.08 -2.76 0.94 0.00 -0.11 0.00 0.00 41.96 39.95 3fku s TYR 189 CO 0.00 -0.80 1.29 -2.13 -1.11 0.00 0.00 175.55 172.81 3fku n ARG 190 N -2.71 -0.05 -1.27 -0.62 0.63 -1.26 -1.34 116.66 110.04 3fku n ARG 190 Ca 0.05 1.17 -0.28 0.00 -0.92 0.00 0.00 57.85 57.86 3fku n ARG 190 Cb 0.56 -2.01 0.14 0.00 0.45 0.00 0.00 32.46 31.60 3fku n ARG 190 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3fku n ASN 191 N -4.96 5.35 0.00 6.15 6.94 -1.26 -3.95 115.26 123.53 3fku n ASN 191 Ca 0.27 -3.68 0.00 0.00 -0.02 0.00 0.00 54.58 51.15 3fku n ASN 191 Cb 0.91 -0.89 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 3fku n ASN 191 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3fku n ASN 192 N -1.06 0.00 -4.76 0.53 3.02 -0.45 -4.97 115.26 107.57 3fku n ASN 192 Ca 0.61 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.77 3fku n ASN 192 Cb 1.26 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 40.26 3fku n ASN 192 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3fku s ASP 193 N -1.37 7.26 0.14 6.41 1.11 -1.26 -4.53 116.67 124.43 3fku s ASP 193 Ca 0.00 2.16 -0.08 0.00 0.18 0.00 0.00 52.55 54.81 3fku s ASP 193 Cb 0.00 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.31 3fku s ASP 193 CO 0.00 -0.14 0.44 0.00 1.18 0.00 0.00 175.17 176.65 3fku s ARG 194 N -1.58 3.73 0.07 8.23 1.70 -1.26 -0.14 118.95 129.70 3fku s ARG 194 Ca 0.46 0.12 -0.01 0.00 -0.47 0.00 0.00 55.73 55.83 3fku s ARG 194 Cb -0.29 -2.85 0.01 0.00 -0.57 0.00 0.00 34.95 31.26 3fku s ARG 194 CO 0.37 0.46 0.09 -0.35 -1.08 0.00 0.00 175.30 174.79 3fku n PRO 195 N 0.33 0.09 0.35 3.89 -0.04 -1.26 -4.95 135.00 133.41 3fku n PRO 195 Ca -0.04 -0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 63.12 3fku n PRO 195 Cb 0.52 -0.09 -0.07 0.00 -0.04 0.00 0.00 33.50 33.83 3fku n PRO 195 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3fku h SER 196 N -0.10 -0.78 0.00 3.54 0.02 -1.98 -3.17 113.55 111.08 3fku h SER 196 Ca -0.03 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fku h SER 196 Cb 0.09 0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3fku h SER 196 CO 0.02 -0.55 0.04 1.23 -1.14 0.00 0.00 176.83 176.43 3fku h GLY 197 N -0.91 0.00 -5.10 -3.77 0.00 -1.96 -3.45 103.07 87.89 3fku h GLY 197 Ca -0.09 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.67 3fku h GLY 197 CO 0.15 0.00 0.30 -0.42 0.00 0.00 0.00 176.54 176.56 3fku s ILE 198 N -3.81 4.93 0.63 2.60 -1.09 -1.20 -5.02 121.20 118.24 3fku s ILE 198 Ca -0.03 1.65 -0.17 0.00 -2.23 0.00 0.00 60.65 59.87 3fku s ILE 198 Cb 0.09 -4.14 -0.01 0.00 -1.58 0.00 0.00 42.46 36.82 3fku s ILE 198 CO 0.28 0.12 1.15 -0.94 -1.23 0.00 0.00 174.94 174.32 3fku s SER 199 N 1.02 5.11 0.18 3.58 1.04 -1.26 -4.89 113.70 118.48 3fku s SER 199 Ca 0.40 2.18 0.13 0.00 0.48 0.00 0.00 55.95 59.14 3fku s SER 199 Cb -0.18 -2.57 0.68 0.00 0.10 0.00 0.00 66.02 64.05 3fku s SER 199 CO 0.17 -1.64 1.40 -1.84 0.98 0.00 0.00 173.24 172.31 3fku n GLU 200 N -2.04 0.08 0.03 4.02 -0.00 -1.26 -2.09 120.64 119.37 3fku n GLU 200 Ca 0.12 0.56 0.17 0.00 -0.00 0.00 0.00 57.16 58.00 3fku n GLU 200 Cb 0.51 -1.76 0.65 0.00 -0.00 0.00 0.00 31.44 30.84 3fku n GLU 200 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3fku h ARG 201 N 0.00 0.07 -4.55 3.44 2.43 -1.94 -3.39 114.38 110.44 3fku h ARG 201 Ca 0.00 -0.00 -0.72 0.00 -0.81 0.00 0.00 59.98 58.45 3fku h ARG 201 Cb 0.03 -0.02 -0.21 0.00 -0.42 0.00 0.00 29.97 29.36 3fku h ARG 201 CO 0.00 0.05 -0.27 -0.06 -1.51 0.00 0.00 179.97 178.17 3fku s PHE 202 N -5.09 3.20 -0.25 2.20 0.08 -0.89 -1.53 117.98 115.71 3fku s PHE 202 Ca -0.05 -0.69 -0.04 0.00 0.12 0.00 0.00 56.93 56.27 3fku s PHE 202 Cb 0.19 -3.04 0.01 0.00 -0.57 0.00 0.00 43.02 39.61 3fku s PHE 202 CO 0.72 -0.77 -0.03 0.45 -0.10 0.00 0.00 175.22 175.50 3fku s SER 203 N 2.26 4.46 0.32 1.36 0.15 -0.64 -4.93 113.70 116.68 3fku s SER 203 Ca 0.07 -0.64 -0.12 0.00 0.70 0.00 0.00 55.95 55.97 3fku s SER 203 Cb -0.21 -1.74 -0.08 0.00 -1.71 0.00 0.00 66.02 62.29 3fku s SER 203 CO 0.09 -0.10 0.68 0.00 1.20 0.00 0.00 173.24 175.12 3fku s ALA 204 N 1.42 3.41 -0.03 5.45 0.00 -1.26 -1.33 121.76 129.42 3fku s ALA 204 Ca 0.03 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 3fku s ALA 204 Cb -0.16 -2.63 0.07 0.00 0.00 0.00 0.00 23.12 20.41 3fku s ALA 204 CO -0.03 0.28 0.69 0.45 0.00 0.00 0.00 175.76 177.15 3fku s SER 205 N -2.61 -0.63 -0.04 0.00 0.15 -0.14 -4.94 113.70 105.50 3fku s SER 205 Ca 0.51 0.60 0.05 0.00 0.70 0.00 0.00 55.95 57.81 3fku s SER 205 Cb -0.10 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.73 3fku s SER 205 CO 0.23 -0.64 -0.19 -0.60 1.20 0.00 0.00 173.24 173.24 3fku s ARG 206 N -1.53 1.88 -0.24 5.44 3.52 -1.26 -0.65 118.95 126.11 3fku s ARG 206 Ca -0.09 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 3fku s ARG 206 Cb -0.00 -1.65 0.06 0.00 -1.56 0.00 0.00 34.95 31.80 3fku s ARG 206 CO 0.06 0.30 -0.03 0.45 -0.81 0.00 0.00 175.30 175.27 3fku s SER 207 N -0.08 3.87 1.82 -2.12 0.15 -0.92 -5.01 113.70 111.41 3fku s SER 207 Ca -0.02 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.38 3fku s SER 207 Cb -0.11 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 3fku s SER 207 CO 0.02 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3fku n GLY 208 N 4.67 3.01 0.86 9.45 0.00 -1.26 -2.63 105.19 119.29 3fku n GLY 208 Ca -0.10 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3fku n GLY 208 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fku n ASN 209 N 10.02 2.67 -4.18 1.61 4.13 -1.26 -3.90 115.26 124.34 3fku n ASN 209 Ca 0.00 -1.88 -0.28 0.00 1.68 0.00 0.00 54.58 54.11 3fku n ASN 209 Cb 0.00 -0.03 -0.16 0.00 -1.54 0.00 0.00 39.78 38.05 3fku n ASN 209 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3fku s THR 210 N -1.94 1.62 -0.13 3.41 2.01 -1.08 -2.20 115.64 117.33 3fku s THR 210 Ca 0.31 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.48 3fku s THR 210 Cb 0.20 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 3fku s THR 210 CO 0.31 0.46 -0.12 0.00 -0.69 0.00 0.00 174.62 174.58 3fku s ALA 211 N -0.12 2.66 -0.06 7.40 0.00 0.25 -2.18 121.76 129.71 3fku s ALA 211 Ca -0.01 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.10 3fku s ALA 211 Cb -0.11 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.77 3fku s ALA 211 CO 0.02 0.26 -0.15 -1.12 0.00 0.00 0.00 175.76 174.77 3fku s SER 212 N 0.32 1.97 -0.27 0.00 0.01 0.18 0.00 113.70 115.91 3fku s SER 212 Ca -0.10 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 56.78 3fku s SER 212 Cb -0.16 -0.74 0.01 0.00 0.21 0.00 0.00 66.02 65.34 3fku s SER 212 CO 0.05 0.09 0.04 -0.22 0.41 0.00 0.00 173.24 173.62 3fku s LEU 213 N 0.35 3.59 -0.16 2.44 2.96 -0.24 -0.96 118.68 126.66 3fku s LEU 213 Ca -0.10 -0.66 -0.06 0.00 -0.22 0.00 0.00 54.13 53.09 3fku s LEU 213 Cb -0.14 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3fku s LEU 213 CO 0.03 -0.15 0.04 0.42 -1.32 0.00 0.00 176.35 175.38 3fku s THR 214 N 1.47 4.62 -0.18 3.68 -4.23 -0.44 -1.38 115.64 119.18 3fku s THR 214 Ca 0.03 -0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 3fku s THR 214 Cb -0.17 -3.05 -0.00 0.00 1.34 0.00 0.00 72.50 70.62 3fku s THR 214 CO 0.01 0.49 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.83 3fku s ILE 215 N 0.15 2.82 0.52 2.99 1.01 -0.12 -1.61 121.20 126.95 3fku s ILE 215 Ca 0.03 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 3fku s ILE 215 Cb -0.12 -2.22 0.12 0.00 0.01 0.00 0.00 42.46 40.24 3fku s ILE 215 CO 0.01 0.49 0.70 0.35 0.00 0.00 0.00 174.94 176.49 3fku n THR 216 N 4.40 0.00 -3.64 2.92 -2.24 -0.58 -0.40 114.28 114.74 3fku n THR 216 Ca -0.19 -0.64 -0.20 0.00 -2.27 0.00 0.00 64.05 60.75 3fku n THR 216 Cb 0.51 -1.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.15 3fku n THR 216 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fku n GLY 217 N 0.23 -0.21 3.68 3.38 0.00 0.01 -4.76 105.19 107.52 3fku n GLY 217 Ca 0.09 0.13 -0.47 0.00 0.00 0.00 0.00 46.02 45.77 3fku n GLY 217 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fku n LEU 218 N -2.98 3.42 -4.40 0.99 4.77 -1.14 -4.58 117.00 113.09 3fku n LEU 218 Ca -0.13 1.00 -0.26 0.00 -0.03 0.00 0.00 56.01 56.59 3fku n LEU 218 Cb 0.34 -1.40 -0.12 0.00 -2.33 0.00 0.00 43.42 39.91 3fku n LEU 218 CO 0.43 -0.09 -0.53 -1.58 -1.33 0.00 0.00 177.39 174.29 3fku s GLN 219 N 3.28 1.44 0.50 3.23 0.74 -1.26 0.37 119.66 127.96 3fku s GLN 219 Ca 0.89 -1.47 0.35 0.00 0.05 0.00 0.00 55.36 55.18 3fku s GLN 219 Cb -0.67 -1.73 1.49 0.00 1.10 0.00 0.00 33.01 33.20 3fku s GLN 219 CO 0.47 0.38 1.70 -1.00 -0.55 0.00 0.00 175.29 176.28 3fku h PRO 220 N 3.32 0.08 -0.52 1.67 0.13 -2.00 -1.74 132.00 132.94 3fku h PRO 220 Ca -0.46 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3fku h PRO 220 Cb 1.20 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3fku h PRO 220 CO 0.47 0.05 0.24 0.93 -0.23 0.00 0.00 178.00 179.47 3fku h GLU 221 N 0.09 0.76 -0.68 0.86 3.07 -2.00 -2.99 114.58 113.68 3fku h GLU 221 Ca 0.73 -0.12 0.20 0.00 -0.50 0.00 0.00 59.36 59.67 3fku h GLU 221 Cb 2.59 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 30.34 3fku h GLU 221 CO -0.16 0.64 0.71 -0.44 -1.40 0.00 0.00 179.01 178.35 3fku h ASP 222 N 0.70 0.00 -1.89 1.42 5.19 -1.73 -3.40 116.42 116.71 3fku h ASP 222 Ca 0.18 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 56.10 3fku h ASP 222 Cb 0.14 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 3fku h ASP 222 CO -0.02 0.00 1.43 -0.70 -3.12 0.00 0.00 179.24 176.83 3fku s GLU 223 N -4.60 2.49 0.00 3.56 2.12 -1.13 -4.86 118.70 116.28 3fku s GLU 223 Ca -0.04 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.13 3fku s GLU 223 Cb 0.16 -4.44 0.00 0.00 0.26 0.00 0.00 34.13 30.11 3fku s GLU 223 CO 0.56 -2.87 0.00 0.00 -0.54 0.00 0.00 175.26 172.41 3fku n ALA 224 N 13.57 0.00 -2.78 6.30 0.00 -1.20 -4.92 120.51 131.48 3fku n ALA 224 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 3fku n ALA 224 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 3fku n ALA 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fku s ASP 225 N -0.15 6.38 -0.08 0.00 1.01 -0.75 -1.25 116.67 121.83 3fku s ASP 225 Ca 0.00 0.45 0.05 0.00 0.71 0.00 0.00 52.55 53.76 3fku s ASP 225 Cb 0.00 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.82 3fku s ASP 225 CO 0.00 0.30 -0.24 -0.31 0.21 0.00 0.00 175.17 175.12 3fku s TYR 226 N -0.45 2.51 -0.04 4.23 1.51 -0.70 -0.93 117.35 123.48 3fku s TYR 226 Ca 0.14 -0.90 0.06 0.00 -1.01 0.00 0.00 57.07 55.36 3fku s TYR 226 Cb -0.12 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 3fku s TYR 226 CO 0.03 -0.32 -0.22 0.71 -1.11 0.00 0.00 175.55 174.64 3fku s TYR 227 N 0.11 2.48 0.30 2.71 2.02 -0.52 -1.65 117.35 122.79 3fku s TYR 227 Ca -0.12 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.22 3fku s TYR 227 Cb -0.16 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 3fku s TYR 227 CO 0.07 -0.02 0.31 0.00 -1.57 0.00 0.00 175.55 174.34 3fku s SER 229 N -3.99 -0.39 0.00 0.00 1.04 -0.08 -1.89 113.70 108.39 3fku s SER 229 Ca 0.39 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.12 3fku s SER 229 Cb -0.08 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3fku s SER 229 CO 0.27 -0.45 0.00 0.41 0.98 0.00 0.00 173.24 174.46 3fku n THR 230 N 0.45 0.00 -3.79 2.02 -1.04 -0.90 -0.56 114.28 110.46 3fku n THR 230 Ca -0.10 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.53 3fku n THR 230 Cb 0.59 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.04 3fku n THR 230 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 3fku s TRP 231 N -2.91 3.63 -0.26 -1.42 -0.11 -1.26 -0.58 118.94 116.03 3fku s TRP 231 Ca 0.00 0.63 -0.09 0.00 1.22 0.00 0.00 56.10 57.86 3fku s TRP 231 Cb 0.00 -2.02 -0.04 0.00 -1.50 0.00 0.00 33.47 29.91 3fku s TRP 231 CO 0.00 0.71 0.14 0.34 -4.62 0.00 0.00 176.95 173.52 3fku s ASP 232 N -1.02 5.70 0.27 5.86 -1.08 -0.05 -4.18 116.67 122.17 3fku s ASP 232 Ca 0.17 -0.06 -0.02 0.00 -0.52 0.00 0.00 52.55 52.12 3fku s ASP 232 Cb -0.13 -2.04 0.46 0.00 -1.46 0.00 0.00 42.92 39.75 3fku s ASP 232 CO 0.06 -0.02 1.85 0.28 0.52 0.00 0.00 175.17 177.86 3fku h SER 233 N 8.12 0.90 0.55 -0.34 0.02 -0.43 -1.72 113.55 120.64 3fku h SER 233 Ca -0.37 0.03 -0.21 0.00 -0.84 0.00 0.00 61.79 60.41 3fku h SER 233 Cb 1.18 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 3fku h SER 233 CO 0.58 0.53 -0.92 0.77 -1.14 0.00 0.00 176.83 176.64 3fku h SER 234 N 1.01 0.32 0.33 3.07 4.64 -1.95 -3.28 113.55 117.68 3fku h SER 234 Ca 0.45 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3fku h SER 234 Cb 0.34 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3fku h SER 234 CO -0.23 1.08 -0.80 0.18 -0.87 0.00 0.00 176.83 176.19 3fku n LEU 235 N -3.66 0.68 -3.73 5.97 4.77 -1.19 -4.99 117.00 114.86 3fku n LEU 235 Ca -0.04 -0.16 -0.31 0.00 -0.03 0.00 0.00 56.01 55.47 3fku n LEU 235 Cb 0.83 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.82 3fku n LEU 235 CO 0.49 0.14 -0.08 -1.20 -1.33 0.00 0.00 177.39 175.41 3fku n SER 236 N -1.63 -5.25 -3.54 -1.43 7.64 -0.65 -4.69 113.62 104.08 3fku n SER 236 Ca 0.04 -0.99 -0.12 0.00 1.01 0.00 0.00 58.87 58.82 3fku n SER 236 Cb 0.36 -2.92 -0.04 0.00 -1.01 0.00 0.00 64.21 60.60 3fku n SER 236 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fku s ALA 237 N -3.36 -1.85 0.43 -0.43 0.00 -1.21 -4.75 121.76 110.59 3fku s ALA 237 Ca 0.36 1.33 -0.24 0.00 0.00 0.00 0.00 51.96 53.42 3fku s ALA 237 Cb -0.15 -0.19 -0.08 0.00 0.00 0.00 0.00 23.12 22.70 3fku s ALA 237 CO 0.88 -0.44 1.12 0.08 0.00 0.00 0.00 175.76 177.40 3fku s VAL 238 N -1.78 3.34 -0.03 0.00 1.01 -1.26 -0.87 120.40 120.80 3fku s VAL 238 Ca -0.02 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 3fku s VAL 238 Cb -0.01 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.87 3fku s VAL 238 CO -0.00 0.01 0.03 0.68 0.00 0.00 0.00 175.10 175.81 3fku s VAL 239 N -1.57 0.05 0.24 2.92 -7.23 0.26 -4.66 120.40 110.41 3fku s VAL 239 Ca 0.60 0.22 0.06 0.00 -1.81 0.00 0.00 61.98 61.06 3fku s VAL 239 Cb -0.26 -0.21 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 3fku s VAL 239 CO 0.33 0.15 0.26 -0.36 -0.31 0.00 0.00 175.10 175.17 3fku s PHE 240 N 1.46 3.25 0.81 2.82 0.40 -1.26 -2.11 117.98 123.36 3fku s PHE 240 Ca -0.04 -0.07 -0.06 0.00 -0.60 0.00 0.00 56.93 56.17 3fku s PHE 240 Cb -0.13 -1.48 0.17 0.00 0.51 0.00 0.00 43.02 42.10 3fku s PHE 240 CO -0.03 0.49 1.11 0.41 0.70 0.00 0.00 175.22 177.90 3fku n GLY 241 N -1.24 -0.08 0.29 4.36 0.00 -0.79 -3.00 105.19 104.73 3fku n GLY 241 Ca -0.08 -1.92 0.18 0.00 0.00 0.00 0.00 46.02 44.19 3fku n GLY 241 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fku h GLY 242 N -0.98 0.00 0.00 -0.02 0.00 -1.80 -3.44 103.07 96.83 3fku h GLY 242 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3fku h GLY 242 CO 0.34 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.49 3fku n GLY 243 N -0.55 -1.34 2.74 4.60 0.00 -1.26 -4.72 105.19 104.67 3fku n GLY 243 Ca -0.01 -1.31 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 3fku n GLY 243 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fku s THR 244 N -1.86 0.40 -0.40 2.61 -1.32 -0.66 -4.38 115.64 110.02 3fku s THR 244 Ca 0.00 -0.21 -0.28 0.00 -1.21 0.00 0.00 61.69 59.99 3fku s THR 244 Cb 0.00 -0.76 0.02 0.00 -1.51 0.00 0.00 72.50 70.25 3fku s THR 244 CO 0.00 -0.00 1.04 -0.75 -2.21 0.00 0.00 174.62 172.70 3fku s LYS 245 N 1.94 3.83 -0.19 7.08 2.36 0.05 -1.73 119.74 133.09 3fku s LYS 245 Ca 0.02 0.67 -0.16 0.00 -2.55 0.00 0.00 55.97 53.95 3fku s LYS 245 Cb -0.15 -3.83 -0.04 0.00 -1.05 0.00 0.00 37.83 32.76 3fku s LYS 245 CO -0.07 -1.11 0.40 -1.17 1.55 0.00 0.00 175.35 174.95 3fku s LEU 246 N 3.88 4.18 0.34 5.43 2.96 -0.38 -2.31 118.68 132.78 3fku s LEU 246 Ca 0.43 0.55 0.09 0.00 -0.22 0.00 0.00 54.13 54.98 3fku s LEU 246 Cb -0.10 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 3fku s LEU 246 CO 0.23 -0.05 0.04 0.42 -1.32 0.00 0.00 176.35 175.67 3fku s THR 247 N 1.14 2.75 0.00 3.68 -4.23 -0.81 -3.28 115.64 114.89 3fku s THR 247 Ca 0.20 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 3fku s THR 247 Cb -0.15 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.86 3fku s THR 247 CO 0.08 -0.20 0.00 0.52 -0.54 0.00 0.00 174.62 174.47 3fku n VAL 248 N -0.99 0.00 0.32 2.29 0.31 -1.26 -2.40 118.33 116.60 3fku n VAL 248 Ca -0.04 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.32 3fku n VAL 248 Cb 0.62 -0.83 0.15 0.00 -0.91 0.00 0.00 33.84 32.87 3fku n VAL 248 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69